[Wien] plotting band structure in a special direction

anin anin1996 at gmail.com
Sat Jul 23 20:17:10 CEST 2005


Yes. You can use Xcrysden to select the direction you want. It is easier. Or 
you can edit the case.klist_band file . Have a look at that file of any 
other calculations and you will understand how to edit it. You can search 
the former maillist , I remember it has been disscussed before. Goodluck!
 btw. How do you know the labels of the special points? I am wondering what 
the lables mean in a body-centered-orthorhombic Bravais lattice.Thanks.
 
 2005/7/23, farzad ahmadian <mv_farzad at yahoo.com>: 
> 
> you should to install the *Xcrysden package*.(Download is free)
>  then with this software help to you that plot the band structure in this 
> direction.
>   
> *Sherif Yehia <wien542002 at yahoo.com>* wrote:
> 
> 
> Dear Wien users
> 
> I would like to I would like to plot band
> structure for my system witch is hexagonal with this
> direction
> 
> A (001)
> Delta (00 ½)
> Gamma(000) 
> Sigma(1/3 00)
> Sigma(2/3 00) 
> M(2/3 00)
> U(1 0 ½)
> L(101)
> 
> How could I do that with wien . I would appreciate
> any help regarding this matter.
> 
> Thanks all for your kindly help.
> 
> Sherif Yehia
> 
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